N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid

Systemtic Name: N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid Openeye Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid CAS Name: N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-2-(2-naphthalenylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid IUPAC Name: N-(2-amino-2-imino-1-piperidin-3-ylethyl)-2-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanamide; sulfurous acid Traditional Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)-3-(2-nitrophenyl)propionamide; sulfurous acid Formula: C26H32N6O8S2 MolecularWeight: 620.69768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)C(CC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)C(CC2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.OS(=O)O

InChI

InChI=1S/C26H30N6O5S.H2O3S/c27-25(28)24(20-9-5-13-29-16-20)30-26(33)22(15-19-8-3-4-10-23(19)32(34)35)31-38(36,37)21-12-11-17-6-1-2-7-18(17)14-21;1-4(2)3/h1-4,6-8,10-12,14,20,22,24,29,31H,5,9,13,15-16H2,(H3,27,28)(H,30,33);(H2,1,2,3)